CS-1003300
Lumateperone Impurity 6
Manufacturer: ChemScene
CAS Number: 2649799-31-3
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₈H₄₆N₆O
Molecular Weight
602.81
Synonyms
None
SMILES
CN1C2=C3C([C@]4([C@@](N3CC1)(CCN(C4)C5=CC=C(C(CCCN6C[C@]7(C=8C=9N([C@]7(CC6)[H])CCN(C)C9C=CC8)[H])=O)C=C5)[H])[H])=CC=C2
Tpsa
36.51
Logp
5.4097
H Acceptors
7
H Donors
0
Rotatable Bonds
6
Other Options
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₄₆N₆O
Molecular Weight: 602.81
Synonyms: None
SMILES: CN1C2=C3C([C@]4([C@@](N3CC1)(CCN(C4)C5=CC=C(C(CCCN6C[C@]7(C=8C=9N([C@]7(CC6)[H])CCN(C)C9C=CC8)[H])=O)C=C5)[H])[H])=CC=C2
Tpsa: 36.51
Logp: 5.4097
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₄₆N₆O
Molecular Weight:
602.81
Synonyms:
None
SMILES:
CN1C2=C3C([C@]4([C@@](N3CC1)(CCN(C4)C5=CC=C(C(CCCN6C[C@]7(C=8C=9N([C@]7(CC6)[H])CCN(C)C9C=CC8)[H])=O)C=C5)[H])[H])=CC=C2
Tpsa:
36.51
Logp:
5.4097
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₁NO₄
Molecular Weight: 291.34
Synonyms: None
SMILES: C(CO)(=O)[C@@H]1[C@H](CC)CN(C(OCC2=CC=CC=C2)=O)C1
Tpsa: 66.84
Logp: 1.8426
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₁NO₄
Molecular Weight:
291.34
Synonyms:
None
SMILES:
C(CO)(=O)[C@@H]1[C@H](CC)CN(C(OCC2=CC=CC=C2)=O)C1
Tpsa:
66.84
Logp:
1.8426
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈BrNO₃
Molecular Weight: 352.22
Synonyms: None
SMILES: O=C(OCC=1C=CC=CC1)N2CC(C(=O)CBr)=C(C2)CC
Tpsa: 46.61
Logp: 3.3094
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈BrNO₃
Molecular Weight:
352.22
Synonyms:
None
SMILES:
O=C(OCC=1C=CC=CC1)N2CC(C(=O)CBr)=C(C2)CC
Tpsa:
46.61
Logp:
3.3094
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₉N
Molecular Weight: 141.25
Synonyms: None
SMILES: N(=C(C)CC(C)C)CCC
Tpsa: 12.36
Logp: 2.9034
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₉N
Molecular Weight:
141.25
Synonyms:
None
SMILES:
N(=C(C)CC(C)C)CCC
Tpsa:
12.36
Logp:
2.9034
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4